(2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid

C6H10N2O5S — CID 66985211

IUPAC(2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid
SMILESCS(=O)(=O)N[C@@H]1C[C@H](C(=O)O)NC1=O
InChIInChI=1S/C6H10N2O5S/c1-14(12,13)8-3-2-4(6(10)11)7-5(3)9/h3-4,8H,2H2,1H3,(H,7,9)(H,10,11)/t3-,4-/m1/s1
InChIKeyMCHYCNCPIGCROP-QWWZWVQMSA-N
MW222.22 g/mol
LogP-2.12
Rot. Bonds3

About (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid

(2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 66985211) has the molecular formula C6H10N2O5S and a molecular weight of 222.22 g/mol. Its IUPAC name is (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID66985211
Molecular FormulaC6H10N2O5S
Molecular Weight222.22 g/mol
Exact Mass222.03
IUPAC Name(2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid
SMILESCS(=O)(=O)N[C@@H]1C[C@H](C(=O)O)NC1=O
InChIInChI=1S/C6H10N2O5S/c1-14(12,13)8-3-2-4(6(10)11)7-5(3)9/h3-4,8H,2H2,1H3,(H,7,9)(H,10,11)/t3-,4-/m1/s1
InChIKeyMCHYCNCPIGCROP-QWWZWVQMSA-N
XLogP-2.12
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 5-2.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide
CID 142244117
(2S,4S)-4-(4-methylanilino)-5-oxopyrrolidine-2-carboxylic acid
CID 14442454
(2S,4S)-4-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 70097060
4-cyclopropyl-5-oxopyrrolidine-2-carboxylic acid
CID 115013532
(6R)-2-oxo-1,3-diazinane-4,6-dicarboxylic acid
CID 70376519
N-[(3S)-2-oxoazepan-3-yl]methanesulfonamide
CID 94061079
(2S,4S)-5-oxo-4-(4-phenylbutanoylamino)pyrrolidine-2-carboxylic acid
CID 102273253
methyl (2S,4S)-4-acetamido-5-oxopyrrolidine-2-carboxylate
CID 45089540
1-oxo-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinoline-3-carboxylic acid
CID 54025439
(2S,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
CID 96839975
(2R,4S)-5-oxo-4-phenylpyrrolidine-2-carboxylic acid
CID 96839973
4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid (CID 66985211) is (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid is CS(=O)(=O)N[C@@H]1C[C@H](C(=O)O)NC1=O.
What is the InChIKey of (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is MCHYCNCPIGCROP-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H10N2O5S/c1-14(12,13)8-3-2-4(6(10)11)7-5(3)9/h3-4,8H,2H2,1H3,(H,7,9)(H,10,11)/t3-,4-/m1/s1.
What are the key properties of (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid?
(2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of -2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(methanesulfonamido)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66985211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).